8-[[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]-methyl-amino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]-methyl-amino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methyl-amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methyl-amino]-1,3,7-trimethyl-xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N(C)CC(C3=CC=C(C=C3)O)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N(C)CC(C3=CC=C(C=C3)O)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H21N5O4/c1-19(9-12(24)10-5-7-11(23)8-6-10)16-18-14-13(20(16)2)15(25)22(4)17(26)21(14)3/h5-8,12,23-24H,9H2,1-4H3